#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/11/1511145.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1511145 loop_ _publ_author_name 'Herbst, J.F.' 'Yelon, W.B.' _publ_section_title ; Crystal and magnetic structure of Pr2 Fe14 B and Dy2 Fe14 B ; _journal_name_full 'Journal of Applied Physics' _journal_page_first 2343 _journal_page_last 2345 _journal_paper_doi 10.1063/1.334342 _journal_volume 57 _journal_year 1985 _chemical_formula_sum 'B Fe14 Pr2' _chemical_name_systematic 'Pr2 Fe14 B' _space_group_IT_number 136 _symmetry_space_group_name_Hall '-P 4n 2n' _symmetry_space_group_name_H-M 'P 42/m n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.796 _cell_length_b 8.796 _cell_length_c 12.228 _cell_volume 946.076 _citation_journal_id_ASTM JAPIAU _cod_data_source_file boron0-1_248.cif _cod_data_source_block B1Fe14Pr2 _cod_original_cell_volume 946.0756 _cod_original_formula_sum 'B1 Fe14 Pr2' _cod_database_code 1511145 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x+1/2,z+1/2 -x,-y,z y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 y,x,-z -x+1/2,y+1/2,-z+1/2 -y,-x,-z -x,-y,-z y-1/2,-x-1/2,-z-1/2 x,y,-z -y-1/2,x-1/2,-z-1/2 -x-1/2,y-1/2,z-1/2 -y,-x,z x-1/2,-y-1/2,z-1/2 y,x,z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Fe5 Fe 0.5 0.5 0.1144 1 0.0 Pr2 Pr 0.1386 -0.1386 0 1 0.0 Fe4 Fe 0.3173 0.3173 0.2463 1 0.0 Fe2 Fe 0.0385 0.3598 0.1765 1 0.0 B1 B 0.3704 -0.3704 0 1 0.0 Fe1 Fe 0.2237 0.5679 0.1279 1 0.0 Pr1 Pr 0.2678 0.2678 0 1 0.0 Fe6 Fe 0 0.5 0 1 0.0 Fe3 Fe 0.098 0.098 0.2057 1 0.0